CAS RN: 885278-39-7
5,6-DICHLORO-1H-INDAZOLE-3-CARBONITRILE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250614 | 50mg / 250mg | Confirm by inquiry | Shandong | Inquiry |
- Product code: starshine_CAS885278-39-7
- Purity/Analytical Methods: >99.0%
885278-39-7 / 5,6-dichloro-1H-indazole-3-carbonitrile
Basic Information
CAS
885278-39-7
Multi CAS
No
Molecular Formula
C8H3CL2N3
Molecular Weight
212.030000
Exact Mass
210.970403
InChI
InChI=1S/C8H3Cl2N3/c9-5-1-4-7(2-6(5)10)12-13-8(4)3-11/h1-2H,(H,12,13)
InChIKey
KPYROIGJUKKVPI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.83
TPSA
52.47
LogP / Solubility
WLOGP
2.74
MLOGP
2.41
XLogP3
2.9
Consensus LogP
2.68
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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